L629-1309 Screening compound: 2-{1-[(5-bromothiophen-2-yl)sulfonyl]piperidin-4-yl}-N-[(pyridin-3-yl)methyl]propanamide

L629-1309 Screening compound: 2-{1-[(5-bromothiophen-2-yl)sulfonyl]piperidin-4-yl}-N-[(pyridin-3-yl)methyl]propanamide
L629-1309 Screening compound: 2-{1-[(5-bromothiophen-2-yl)sulfonyl]piperidin-4-yl}-N-[(pyridin-3-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L629-1309
2-{1-[(5-bromothiophen-2-yl)sulfonyl]piperidin-4-yl}-N-[(pyridin-3-yl)methyl]propanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L629-1309

Molecular Formula

C18H22BrN3O3S2 (C18 H22 BrN3 O3 S2)

Compound Name

2-{1-[(5-bromothiophen-2-yl)sulfonyl]piperidin-4-yl}-N-[(pyridin-3-yl)methyl]propanamide

IUPAC name

2-{1-[(5-bromothiophen-2-yl)sulfonyl]piperidin-4-yl}-N-[(pyridin-3-yl)methyl]propanamide

SMILES

CC(C(CC1)CCN1S(c(s1)ccc1Br)(=O)=O)C(NCc1cnccc1)=O

InChI

InChI=1S/C18H22BrN3O3S2/c1-13(18(23)21-12-14-3-2-8-20-11-14)15-6-9-22(10-7-15)27(24,25)17-5-4-16(19)26-17/h2-5,8,11,13,15H,6-7,9-10,12H2,1H3,(H,21,23)/t13-/m0/s1

InChI Key

BCRAEKIKRKCLHU-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27466641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.354

Distribution Coefficient, logD

2.351

Water Solubility, LogSw

-2.23

Polar Surface Area

66.899

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

L629-1309 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L629-1309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L629-1309?
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What is the minimum amount of L629-1309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L629-1309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L629-1309
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L629-1309 available by request